Geometry & MOs

Info

ID:

306569

PubChem CID:

125088773

Reduced:

BrSN3O7C32H40 (1)

Stoich.:

ABC3D7E32F40 (1)

Weight, g/mol:

580.17189

ΔHf, kcal/mol:

-225.8

Dipole, Da:

4.48

IP(EA), eV:

 -8.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=CC=C2)Br)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations